2,6-二叔丁基对甲酚

外观与性状：

白色晶体或结晶粉末

密度：

1.048

熔点：

69-73 °C(lit.)

沸点：

265 °C(lit.)

闪点：

127 °C

水溶解性：

insoluble

折射率：

1.4859

蒸汽压：

0.00624mmHg at 25°C

蒸汽密度：

7.6 (vs air)

存储条件/存储方法：

库房通风低温干燥,与氧化剂分开存放

稳定性相关：

1.  对白色或浅黄色结晶体，遇光颜色变黄，并逐渐变深。无臭，无味，低毒，可燃。

2.  常温下在下列溶剂中的溶解度：甲醇25%，乙醇25%～26%，异丙醇30%，矿物油30%，丙酮40%，石油醚50%，苯40%，猪油（40～50℃）40%～50%，玉米油及大豆油40%～50%。在水，10%氢氧化钠溶液，甘油，丙二醇中不溶。

3.  对热相当稳定,具有单酚型特征的升华性。BHT具有抗氧化作用的原理与BHA相同,一般多与BHA并用,并以柠檬酸或其他有机酸为增效剂。

4.   存在于烤烟烟叶、白肋烟烟叶、香料烟烟叶、烟气中。

其它信息：

1、性状：无色结晶或白色结晶性粉末，无臭无味。遇光颜色变黄，并逐渐变深。

2、相对密度（20/4℃）：0.8937

3、折光率 _(n⁷⁵_D) ：1.4859

4、熔点（℃）：71

5、沸点（ºC）：265

6、闪点（℃）：127

7、黏度（80℃，mPa)：3.74

8、溶解性：易溶于乙醇（25%，25℃）、丙酮（40%）、苯（40%）、大豆油、棉籽油、猪油，不溶于水、甘油、丙二醇。

9.   常温折射率（n²⁵）：1.4895⁷⁵

10. 相对密度（25℃，4℃）：0.899⁸⁰

包装等级：

III

风险类别：

9

海关代码：

2907199090

WGK_Germany：

1
德国有关水污染物质的分类清单

危险类别码：

R22;R36/37/38

安全说明：

S26-S36-S37/39

RTECS号：

GO7875000

安全标志：

S26:万一接触眼睛，立即使用大量清水冲洗并送医诊治。
S36:穿戴合适的防护服装。
:

危险标志：

Xn:Harmful

CHEMICAL IDENTIFICATION

RTECS NUMBER :

GO7875000

CHEMICAL NAME :

p-Cresol, 2,6-di-tert-butyl-

CAS REGISTRY NUMBER :

128-37-0

LAST UPDATED :

199712

DATA ITEMS CITED :

79

MOLECULAR FORMULA :

C15-H24-O

MOLECULAR WEIGHT :

220.39

WISWESSER LINE NOTATION :

1X1&1&R BQ E1 CX1&1&1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :

Standard Draize test

ROUTE OF EXPOSURE :

Administration onto the skin

SPECIES OBSERVED :

Human

TYPE OF TEST :

Standard Draize test

ROUTE OF EXPOSURE :

Administration onto the skin

SPECIES OBSERVED :

Rodent - rabbit

TYPE OF TEST :

Standard Draize test

ROUTE OF EXPOSURE :

Administration into the eye

SPECIES OBSERVED :

Rodent - rabbit

TYPE OF TEST :

TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :

Oral

SPECIES OBSERVED :

Human - woman

DOSE/DURATION :

80 mg/kg

TOXIC EFFECTS :

Behavioral - coma Gastrointestinal - gastritis Gastrointestinal - nausea or vomiting

TYPE OF TEST :

LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :

Oral

SPECIES OBSERVED :

Rodent - rat

DOSE/DURATION :

890 mg/kg

TOXIC EFFECTS :

Details of toxic effects not reported other than lethal dose value

TYPE OF TEST :

LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :

Oral

SPECIES OBSERVED :

Rodent - mouse

DOSE/DURATION :

650 mg/kg

TOXIC EFFECTS :

Behavioral - tremor Lungs, Thorax, or Respiration - chronic pulmonary edema

TYPE OF TEST :

LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :

Intraperitoneal

SPECIES OBSERVED :

Rodent - mouse

DOSE/DURATION :

138 mg/kg

TOXIC EFFECTS :

Lungs, Thorax, or Respiration - chronic pulmonary edema Lungs, Thorax, or Respiration - other changes Blood - hemorrhage

TYPE OF TEST :

LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :

Intravenous

SPECIES OBSERVED :

Rodent - mouse

DOSE/DURATION :

180 mg/kg

TOXIC EFFECTS :

Behavioral - sleep

TYPE OF TEST :

LDLo - Lowest published lethal dose

ROUTE OF EXPOSURE :

Oral

SPECIES OBSERVED :

Mammal - cat

DOSE/DURATION :

940 mg/kg

TOXIC EFFECTS :

Gastrointestinal - hypermotility, diarrhea Behavioral - tremor Lungs, Thorax, or Respiration - respiratory depression

TYPE OF TEST :

LDLo - Lowest published lethal dose

ROUTE OF EXPOSURE :

Oral

SPECIES OBSERVED :

Rodent - rabbit

DOSE/DURATION :

2100 mg/kg

TOXIC EFFECTS :

Gastrointestinal - hypermotility, diarrhea Behavioral - tremor Lungs, Thorax, or Respiration - respiratory depression

TYPE OF TEST :

LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :

Oral

SPECIES OBSERVED :

Rodent - guinea pig

DOSE/DURATION :

10700 mg/kg

TOXIC EFFECTS :

Gastrointestinal - hypermotility, diarrhea Behavioral - tremor Lungs, Thorax, or Respiration - respiratory depression

TYPE OF TEST :

TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :

Oral

SPECIES OBSERVED :

Rodent - rat

DOSE/DURATION :

109 gm/kg/2Y-C

TOXIC EFFECTS :

Blood - changes in serum composition (e.g. TP, bilirubin, cholesterol) Blood - changes in erythrocyte (RBC) count Blood - changes in leukocyte (WBC) count

TYPE OF TEST :

TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :

Oral

SPECIES OBSERVED :

Rodent - rat

DOSE/DURATION :

27 gm/kg/90D-C

TOXIC EFFECTS :

Liver - changes in liver weight Endocrine - evidence of thyroid hyperfunction Endocrine - changes in thyroid weight

TYPE OF TEST :

TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :

Oral

SPECIES OBSERVED :

Rodent - rat

DOSE/DURATION :

37800 mg/kg/6W-C

TOXIC EFFECTS :

Liver - changes in liver weight Endocrine - changes in adrenal weight Nutritional and Gross Metabolic - weight loss or decreased weight gain

TYPE OF TEST :

TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :

Oral

SPECIES OBSERVED :

Rodent - rat

DOSE/DURATION :

5600 mg/kg/16W-C

TOXIC EFFECTS :

Liver - changes in liver weight Kidney, Ureter, Bladder - other changes in urine composition

TYPE OF TEST :

TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :

Oral

SPECIES OBSERVED :

Rodent - rat

DOSE/DURATION :

275 mg/kg/26W-C

TOXIC EFFECTS :

Liver - changes in liver weight Skin and Appendages - hair Nutritional and Gross Metabolic - weight loss or decreased weight gain

TYPE OF TEST :

TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :

Oral

SPECIES OBSERVED :

Rodent - rat

DOSE/DURATION :

112 gm/kg/80W-C

TOXIC EFFECTS :

Liver - changes in liver weight Biochemical - Enzyme inhibition, induction, or change in blood or tissue levels - hepatic microsomal mixed oxidase (dealkylation, hydroxylation, etc.) Biochemical - Metabolism (Intermediary) - other proteins

TYPE OF TEST :

TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :

Oral

SPECIES OBSERVED :

Rodent - rat

DOSE/DURATION :

5040 mg/kg/7D-C

TOXIC EFFECTS :

Liver - changes in liver weight Blood - changes in erythrocyte (RBC) count Biochemical - Enzyme inhibition, induction, or change in blood or tissue levels - transaminases

TYPE OF TEST :

TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :

Oral

SPECIES OBSERVED :

Rodent - mouse

DOSE/DURATION :

13500 mg/kg/18D-I

TOXIC EFFECTS :

Liver - changes in liver weight Biochemical - Enzyme inhibition, induction, or change in blood or tissue levels - other Enzymes

TYPE OF TEST :

TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :

Oral

SPECIES OBSERVED :

Rodent - mouse

DOSE/DURATION :

48600 mg/kg/30D-C

TOXIC EFFECTS :

Lungs, Thorax, or Respiration - changes in lung weight Liver - changes in liver weight Kidney, Ureter, Bladder - changes in tubules (including acute renal failure, acute tubular necrosis)

TYPE OF TEST :

TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :

Administration onto the skin

SPECIES OBSERVED :

Rodent - mouse

DOSE/DURATION :

5 gm/kg/4W-I

TOXIC EFFECTS :

Lungs, Thorax, or Respiration - changes in lung weight Related to Chronic Data - death

TYPE OF TEST :

TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :

Oral

SPECIES OBSERVED :

Primate - monkey

DOSE/DURATION :

14 gm/kg/4W-I

TOXIC EFFECTS :

Biochemical - Enzyme inhibition, induction, or change in blood or tissue levels - phosphatases

TYPE OF TEST :

TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :

Oral

SPECIES OBSERVED :

Rodent - hamster

DOSE/DURATION :

1596 mg/kg/14D-C

TOXIC EFFECTS :

Liver - changes in liver weight Nutritional and Gross Metabolic - weight loss or decreased weight gain Biochemical - Enzyme inhibition, induction, or change in blood or tissue levels - other transferases

TYPE OF TEST :

TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :

Oral

SPECIES OBSERVED :

Rodent - rat

DOSE/DURATION :

134 gm/kg/32W-C

TOXIC EFFECTS :

Tumorigenic - Carcinogenic by RTECS criteria Kidney, Ureter, Bladder - tumors Tumorigenic - cells (cultured) transformed

TYPE OF TEST :

TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :

Oral

SPECIES OBSERVED :

Rodent - mouse

DOSE/DURATION :

435 mg/kg/69W-C

TOXIC EFFECTS :

Tumorigenic - Carcinogenic by RTECS criteria Lungs, Thorax, or Respiration - tumors Gastrointestinal - tumors

TYPE OF TEST :

TD - Toxic dose (other than lowest)

ROUTE OF EXPOSURE :

Oral

SPECIES OBSERVED :

Rodent - rat

DOSE/DURATION :

247 gm/kg/3Y-C

TOXIC EFFECTS :

Tumorigenic - Carcinogenic by RTECS criteria Reproductive - Tumorigenic effects - transplacental tumorigenesis Liver - tumors

TYPE OF TEST :

TD - Toxic dose (other than lowest)

ROUTE OF EXPOSURE :

Oral

SPECIES OBSERVED :

Rodent - rat

DOSE/DURATION :

247 gm/kg/3Y-C

TOXIC EFFECTS :

Tumorigenic - neoplastic by RTECS criteria Reproductive - Tumorigenic effects - ovarian tumors

TYPE OF TEST :

TD - Toxic dose (other than lowest)

ROUTE OF EXPOSURE :

Oral

SPECIES OBSERVED :

Rodent - mouse

DOSE/DURATION :

1423 mg/kg/43W-C

TOXIC EFFECTS :

Tumorigenic - neoplastic by RTECS criteria Liver - tumors

TYPE OF TEST :

TD - Toxic dose (other than lowest)

ROUTE OF EXPOSURE :

Oral

SPECIES OBSERVED :

Rodent - rat

DOSE/DURATION :

247 gm/kg

TOXIC EFFECTS :

Tumorigenic - Carcinogenic by RTECS criteria Liver - tumors

TYPE OF TEST :

TD - Toxic dose (other than lowest)

ROUTE OF EXPOSURE :

Oral

SPECIES OBSERVED :

Rodent - rat

DOSE/DURATION :

963 gm/kg

TOXIC EFFECTS :

Tumorigenic - Carcinogenic by RTECS criteria Gastrointestinal - tumors

TYPE OF TEST :

TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :

Oral

DOSE :

6 gm/kg

SEX/DURATION :

male 13 week(s) pre-mating female 13 week(s) pre-mating - 3 week(s) post-birth

TOXIC EFFECTS :

Reproductive - Effects on Newborn - growth statistics (e.g.%, reduced weight gain)

TYPE OF TEST :

TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :

Oral

DOSE :

18 gm/kg

SEX/DURATION :

male 2 week(s) pre-mating female 2 week(s) pre-mating - 3 week(s) post-birth

TOXIC EFFECTS :

Reproductive - Effects on Newborn - growth statistics (e.g.%, reduced weight gain) Reproductive - Effects on Newborn - behavioral

TYPE OF TEST :

TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :

Oral

DOSE :

9 gm/kg

SEX/DURATION :

male 2 week(s) pre-mating female 2 week(s) pre-mating - 3 week(s) post-birth

TOXIC EFFECTS :

Reproductive - Effects on Newborn - weaning or lactation index (e.g., # alive at weaning per # alive at day 4)

TYPE OF TEST :

TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :

Oral

DOSE :

35 gm/kg

SEX/DURATION :

male 10 week(s) pre-mating

TOXIC EFFECTS :

Reproductive - Fertility - pre-implantation mortality (e.g. reduction in number of implants per female; total number of implants per corpora lutea)

TYPE OF TEST :

TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :

Oral

DOSE :

43800 mg/kg

SEX/DURATION :

female 52 day(s) pre-mating female 1-21 day(s) after conception

TOXIC EFFECTS :

Reproductive - Maternal Effects - parturition Reproductive - Effects on Newborn - weaning or lactation index (e.g., # alive at weaning per # alive at day 4) Reproductive - Effects on Newborn - growth statistics (e.g.%, reduced weight gain)

TYPE OF TEST :

TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :

Oral

DOSE :

12600 mg/kg

SEX/DURATION :

female 1-21 day(s) after conception

TOXIC EFFECTS :

Reproductive - Effects on Newborn - behavioral

TYPE OF TEST :

TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :

Oral

DOSE :

1200 mg/kg

SEX/DURATION :

female 9 day(s) after conception

TOXIC EFFECTS :

Reproductive - Specific Developmental Abnormalities - musculoskeletal system

TYPE OF TEST :

DNA damage

TYPE OF TEST :

Unscheduled DNA synthesis

TYPE OF TEST :

Unscheduled DNA synthesis

TYPE OF TEST :

Dominant lethal test

TYPE OF TEST :

Mutation test systems - not otherwise specified

TYPE OF TEST :

DNA inhibition

TYPE OF TEST :

Dominant lethal test

TYPE OF TEST :

Sperm Morphology

MUTATION DATA

TYPE OF TEST :

Cytogenetic analysis

TEST SYSTEM :

Rodent - hamster Ovary

REFERENCE :

MUREAV Mutation Research. (Elsevier Science Pub. B.V., POB 211, 1000 AE Amsterdam, Netherlands) V.1- 1964- Volume(issue)/page/year: 345,73,1995 *** REVIEWS *** ACGIH TLV-Not classifiable as a human carcinogen DTLVS* The Threshold Limit Values (TLVs) and Biological Exposure Indices (BEIs) booklet issues by American Conference of Governmental Industrial Hygienists (ACGIH), Cincinnati, OH, 1996 Volume(issue)/page/year: TLV/BEI,1997 ACGIH TLV-TWA 10 mg/m3 DTLVS* The Threshold Limit Values (TLVs) and Biological Exposure Indices (BEIs) booklet issues by American Conference of Governmental Industrial Hygienists (ACGIH), Cincinnati, OH, 1996 Volume(issue)/page/year: TLV/BEI,1997 IARC Cancer Review:Animal Limited Evidence IMEMDT IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man. (WHO Publications Centre USA, 49 Sheridan Ave., Albany, NY 12210) V.1- 1972- Volume(issue)/page/year: 40,161,1986 IARC Cancer Review:Human No Adequate Data IMEMDT IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man. (WHO Publications Centre USA, 49 Sheridan Ave., Albany, NY 12210) V.1- 1972- Volume(issue)/page/year: 40,161,1986 IARC Cancer Review:Group 3 IMSUDL IARC Monographs, Supplement. (WHO Publications Centre USA, 49 Sheridan Ave., Albany, NY 12210) No.1- 1979- Volume(issue)/page/year: 7,56,1987 TOXICOLOGY REVIEW FEPRA7 Federation Proceedings, Federation of American Societies for Experimental Biology. (Bethesda, MD) V.1-46, 1942-87. Volume(issue)/page/year: 35,89,1976 *** OCCUPATIONAL EXPOSURE LIMITS *** OEL-AUSTRALIA:TWA 10 mg/m3 JAN 1993 OEL-BELGIUM:TWA 10 mg/m3 JAN 1993 OEL-FINLAND:TWA 10 mg/m3;STEL 20 mg/m3;Skin JAN 1993 OEL-FRANCE:TWA 10 mg/m3 JAN 1993 OEL-THE NETHERLANDS:TWA 10 mg/m3 JAN 1993 OEL-SWITZERLAND:TWA 10 mg/m3 JAN 1993 OEL-UNITED KINGDOM:TWA 10 mg/m3 JAN 1993 OEL IN BULGARIA, COLOMBIA, JORDAN, KOREA check ACGIH TLV OEL IN NEW ZEALAND, SINGAPORE, VIETNAM check ACGIH TLV *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH RECOMMENDED EXPOSURE LEVEL (REL) : NIOSH REL TO 2,6-DI-t-BUTYL-p-CRESOL-air:10H TWA 10 mg/m3 REFERENCE : NIOSH* National Institute for Occupational Safety and Health, U.S. Dept. of Health, Education, and Welfare, Reports and Memoranda. Volume(issue)/page/year: DHHS #92-100,1992 NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOHS - National Occupational Hazard Survey (1974) NOHS Hazard Code - 83383 No. of Facilities: 1526 (estimated) No. of Industries: 32 No. of Occupations: 39 No. of Employees: 28860 (estimated) NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - 83383 No. of Facilities: 27242 (estimated) No. of Industries: 210 No. of Occupations: 154 No. of Employees: 591238 (estimated) No. of Female Employees: 163774 (estimated)

毒理学数据：

1、急性毒性：LD50：1700-1970mg/Kg（大白鼠经口）；小鼠经口LC501040mg/kg

2、接触皮肤能引起皮炎，形成过敏症，溅到皮肤和衣服上后应立即用水冲掉。操作人员应穿戴防护用具。

生态数据：

对水体有一定危害。

中国海关编码：2907199090

概述：

2907199090 其他一元酚. 增值税率:17.0% 退税率:9.0% 监管条件:无 最惠国关税:5.5% 普通关税:30.0%

申报要素：

品名, 成分含量, 用途

摘要/Summary：

2907199090 other monophenols VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:5.5% General tariff:30.0%

分子结构数据

1、   摩尔折射率：69.73

2、   摩尔体积（cm³/mol）：237.5

3、   等张比容（90.2K）：556.0

4、   表面张力（dyne/cm）：30.0

5、   极化率（10^-24cm³）：27.64

计算化学数据

1.疏水参数计算参考值（XlogP）:5.3

2.氢键供体数量:1

3.氢键受体数量:1

4.可旋转化学键数量:2

5.互变异构体数量:2

6.拓扑分子极性表面积20.2

7.重原子数量:16

8.表面电荷:0

9.复杂度:207

10.同位素原子数量:0

11.确定原子立构中心数量:0

12.不确定原子立构中心数量:0

13.确定化学键立构中心数量:0

14.不确定化学键立构中心数量:0

15.共价键单元数量:1

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  2
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  6-二叔丁基对甲酚红外图谱(IR1)
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  2
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  6-二叔丁基对甲酚红外图谱(IR2)
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  2
• 
  6-二叔丁基对甲酚红外图谱(IR3)
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  2